SCHEMBL17975504

SCHEMBL17975504

Cc1nnc(N2CCNC(C)(C)C2)o1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 4/20 0.34
▸ LATS1 O95835 1/20 0.33
▸ AURKA O14965 3/20 0.31
▸ FLT3 P36888 3/20 0.31
▸ AURKB Q96GD4 3/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ RIPK1 Q13546 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16569672 0.75 ADRB1 (0.38) RIPK1
Hydrochloric Acid SCHEMBL16569842 0.74 ADRB1 (0.37) RIPK1
SCHEMBL16569606 0.70 HRH1 (0.40) —
SCHEMBL13285783 0.69 RIPK1 (0.38) RIPK1
SCHEMBL16578759 0.69 KHK (0.35) CSNK1ERIPK1
SCHEMBL17975505 0.68 — —
SCHEMBL16236124 0.66 ALDH1A1 (0.53) CSNK1ELATS1PRKCQHDAC1
SCHEMBL23561133 0.66 CDK4 (0.40) LATS1PRKCQHDAC1
SCHEMBL17613248 0.65 RIPK1 (0.39) RIPK1
SCHEMBL82946 0.65 HDAC1 (0.45) CSNK1ELATS1PRKCQHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044221-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-02-21 — — EP disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 — — US disclosed
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH ROYAL CANCER HOSPITAL (THE) (GB) 2016-08-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP1 CSNK1E 86/4885LATS1 1243/4885AURKA 303/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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